A review of computational studies of magnetically induced current density susceptibilities in
molecules and their relation to experiments is presented. The history of the investigation of …

Though dinitrosyl‐iron complexes (DNICs) are largely believed to act as NO carriers, several
experiments on model DNICs have suggested that they can also act as nitrating agents in …

Cyclobutadiene (CBD) is the paradigmatic antiaromatic molecule but is known to form highly
stable aromatic complexes, eg CBD–Fe (CO) 3. This intriguing reversal of aromaticity from …

From the variety of methods known for the depolymerization of organosolv lignin, a broad
range of diversely substituted aromatic compounds are available today. In the present work …

Density functional theory has been used to elucidate the mechanistic underpinnings of the
regeneration of ammonia‐borane (H3B− NH3, AB) from polyborazylene (BxNxHx, PBz) in …

Azobenzenes: Make, Measure, and Roll Ilana Berenson Stone Submitted in partial fulfillment of
the requirements for the degree of Page 1 Azobenzenes: Make, Measure, and Roll Ilana …

Oxidation of nonmetallic singlet molecules by oxygen has its own share of intricacies.
Herein, by means of DFT and ab initio techniques, mechanistic details of the aerial oxidation …